7VZB
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![BU of 7vzb by Molmil](/molmil-images/mine/7vzb) | Cryo-EM structure of C22:0-CoA bound human very long-chain fatty acid ABC transporter ABCD1 | Descriptor: | CHOLESTEROL HEMISUCCINATE, Peroxisomal Membrane Protein related,ATP-binding cassette sub-family D member 1, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] docosanethioate | Authors: | Chen, Z.P, Xu, D, Wang, L, Mao, Y.X, Yang, L, Cheng, M.T, Hou, W.T, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2021-11-15 | Release date: | 2022-05-18 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Structural basis of substrate recognition and translocation by human very long-chain fatty acid transporter ABCD1. Nat Commun, 13, 2022
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7VX8
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![BU of 7vx8 by Molmil](/molmil-images/mine/7vx8) | Cryo-EM structure of ATP-bound human very long-chain fatty acid ABC transporter ABCD1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Peroxisomal Membrane Protein related,ATP-binding cassette sub-family D member 1 | Authors: | Chen, Z.P, Xu, D, Wang, L, Mao, Y.X, Yang, L, Cheng, M.T, Hou, W.T, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2021-11-12 | Release date: | 2022-05-18 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis of substrate recognition and translocation by human very long-chain fatty acid transporter ABCD1. Nat Commun, 13, 2022
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7VWC
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![BU of 7vwc by Molmil](/molmil-images/mine/7vwc) | Cryo-EM structure of human very long-chain fatty acid ABC transporter ABCD1 | Descriptor: | Peroxisomal Membrane Protein related,ATP-binding cassette sub-family D member 1, [(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-oxidanyl-propyl] octadecanoate | Authors: | Chen, Z.P, Xu, D, Wang, L, Mao, Y.X, Yang, L, Cheng, M.T, Hou, W.T, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2021-11-10 | Release date: | 2022-05-18 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Structural basis of substrate recognition and translocation by human very long-chain fatty acid transporter ABCD1. Nat Commun, 13, 2022
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6M31
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![BU of 6m31 by Molmil](/molmil-images/mine/6m31) | |
4RFM
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![BU of 4rfm by Molmil](/molmil-images/mine/4rfm) | ITK kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian-2-yl)(phenyl)methyl]-1H- pyrazol-4-yl}-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazole-3-carboxamide | Descriptor: | (4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | Authors: | McEwan, P.A, Barker, J.J, Eigenbrot, C. | Deposit date: | 2014-09-26 | Release date: | 2015-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo. J.Med.Chem., 58, 2015
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2HV6
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![BU of 2hv6 by Molmil](/molmil-images/mine/2hv6) | |
2HV7
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5GT9
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![BU of 5gt9 by Molmil](/molmil-images/mine/5gt9) | The X-ray structure of 7beta-hydroxysteroid dehydrogenase | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, short chain dehydrogenase/reductase family protein | Authors: | Wang, F, Wang, R, Lv, Z, Chen, Q, Huo, X. | Deposit date: | 2016-08-19 | Release date: | 2017-05-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of NADP(+)-bound 7 beta-hydroxysteroid dehydrogenase reveals two cofactor-binding modes Acta Crystallogr F Struct Biol Commun, 73, 2017
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4PRJ
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4PQN
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![BU of 4pqn by Molmil](/molmil-images/mine/4pqn) | ITK kinase domain with compound GNE-9822 | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | Authors: | McEwan, P.A, Barker, J.J, Eigenbrot, C. | Deposit date: | 2014-03-03 | Release date: | 2014-07-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors. J.Med.Chem., 57, 2014
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5IPY
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![BU of 5ipy by Molmil](/molmil-images/mine/5ipy) | Crystal structure of WT RnTmm | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, C.Y, Zhang, Y.Z. | Deposit date: | 2016-03-10 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide Mol. Microbiol., 103, 2017
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5IQ4
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![BU of 5iq4 by Molmil](/molmil-images/mine/5iq4) | Crystal structure of RnTmm mutant Y207S soaking | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, Y.Z, Li, C.Y. | Deposit date: | 2016-03-10 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide Mol. Microbiol., 103, 2017
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5IQ1
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![BU of 5iq1 by Molmil](/molmil-images/mine/5iq1) | Crystal structure of RnTmm mutant Y207S | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, C.Y, Zhang, Y.Z. | Deposit date: | 2016-03-10 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide Mol. Microbiol., 103, 2017
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5J87
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8IVB
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![BU of 8ivb by Molmil](/molmil-images/mine/8ivb) | K113-Ubiquitinated BAK | Descriptor: | Bcl-2 homologous antagonist/killer, Ubiquitin | Authors: | Dong, X, Cheng, P, Hou, Y.Z, Chen, Y.K, Liu, Z. | Deposit date: | 2023-03-26 | Release date: | 2024-01-31 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Parkin-mediated ubiquitination inhibits BAK apoptotic activity by blocking its canonical hydrophobic groove. Commun Biol, 6, 2023
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6UKM
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![BU of 6ukm by Molmil](/molmil-images/mine/6ukm) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound MSA-2 | Descriptor: | 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-05 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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4ZS3
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![BU of 4zs3 by Molmil](/molmil-images/mine/4zs3) | Structural complex of 5-aminofluorescein bound to the FTO protein | Descriptor: | 2-OXOGLUTARIC ACID, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ... | Authors: | Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X. | Deposit date: | 2015-05-13 | Release date: | 2015-11-04 | Last modified: | 2015-11-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein J.Am.Chem.Soc., 137, 2015
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6KUU
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![BU of 6kuu by Molmil](/molmil-images/mine/6kuu) | Structure of influenza D virus polymerase bound to vRNA promoter in Mode B conformation (Class B3) | Descriptor: | 3'-vRNA, 5'-vRNA, Polymerase 3, ... | Authors: | Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y. | Deposit date: | 2019-09-02 | Release date: | 2019-12-11 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of influenza D virus polymerase bound to vRNA promoter in Mode B conformation (Class B3) To Be Published
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6UKU
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![BU of 6uku by Molmil](/molmil-images/mine/6uku) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 3 | Descriptor: | 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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6UL0
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![BU of 6ul0 by Molmil](/molmil-images/mine/6ul0) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4 | Descriptor: | 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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6UKV
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![BU of 6ukv by Molmil](/molmil-images/mine/6ukv) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9 | Descriptor: | 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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1OIY
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![BU of 1oiy by Molmil](/molmil-images/mine/1oiy) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-26 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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1OI9
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![BU of 1oi9 by Molmil](/molmil-images/mine/1oi9) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-10 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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4DKD
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![BU of 4dkd by Molmil](/molmil-images/mine/4dkd) | Crystal Structure of Human Interleukin-34 Bound to Human CSF-1R | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-34, ... | Authors: | Ma, X, Bazan, J.F, Starovasnik, M.A. | Deposit date: | 2012-02-03 | Release date: | 2012-04-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis for the Dual Recognition of Helical Cytokines IL-34 and CSF-1 by CSF-1R. Structure, 20, 2012
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1OIU
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![BU of 1oiu by Molmil](/molmil-images/mine/1oiu) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-26 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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